N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine

C17H34N2O2 — CID 63739810

IUPACN-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CC(C)OC(C)(C)C2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-5-8-18-11-17(7-6-9-20-14-17)13-19-10-15(2)21-16(3,4)12-19/h15,18H,5-14H2,1-4H3
InChIKeyCEIOFGDSFLXHPI-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds6

About N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine

N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 63739810) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID63739810
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CC(C)OC(C)(C)C2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-5-8-18-11-17(7-6-9-20-14-17)13-19-10-15(2)21-16(3,4)12-19/h15,18H,5-14H2,1-4H3
InChIKeyCEIOFGDSFLXHPI-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
N-methyl-1-[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
CID 55066907
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
2-methyl-N-[[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62260292
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
CID 104960649
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 62391374

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine (CID 63739810) is N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CC(C)OC(C)(C)C2)CCCOC1.
What is the InChIKey of N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is CEIOFGDSFLXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-8-18-11-17(7-6-9-20-14-17)13-19-10-15(2)21-16(3,4)12-19/h15,18H,5-14H2,1-4H3.
What are the key properties of N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63739810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).